Pyrrobutamine
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Pyrrobutamine
structure -
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CAS No:
91-82-7
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Formula:
C20H22ClN
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Chemical Name:
Pyrrobutamine
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Synonyms:
Pyrrolidine,1-[4-(4-chlorophenyl)-3-phenyl-2-buten-1-yl]-;Pyrrolidine,1-[γ-(p-chlorobenzyl)cinnamyl]-;Pyrrolidine,1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-;1-[4-(4-Chlorophenyl)-3-phenyl-2-buten-1-yl]pyrrolidine;Pyrrobutamine
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CAS No:
Pyrrobutamine Basic Attributes
311.84800
311.85
202-101-7
VE6KP18S8X
DTXSID9023544
R - Respiratory system
Characteristics
3.24000
4.99980
1.1052 g/cm3 @ Temp: 25 °C
48.5 °C
192 °C
221ºC
1.595
271.3mg/L(37.5 ºC)
Computed Properties
Molecular Weight:311.8
XLogP3:5.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:311.1440774
Monoisotopic Mass:311.1440774
Topological Polar Surface Area:3.2
Heavy Atom Count:22
Complexity:345
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes